N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-methylphenyl)methanimine
Chemical Structure Depiction of
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-methylphenyl)methanimine
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-methylphenyl)methanimine
Compound characteristics
| Compound ID: | Y503-4043 |
| Compound Name: | N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-methylphenyl)methanimine |
| Molecular Weight: | 385.45 |
| Molecular Formula: | C17 H19 N7 O2 S |
| Smiles: | Cc1ccc(/C=N/n2c(C)nnc2SCn2c(C)c(c(C)n2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0559 |
| logD: | 2.0497 |
| logSw: | -2.3339 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.843 |
| InChI Key: | QRXHZSZKBYIESF-UHFFFAOYSA-N |